2-pyrrolidin-3-ylpyrazine;hydrochloride

C8H12ClN3 — CID 71744154

IUPAC2-pyrrolidin-3-ylpyrazine;hydrochloride
SMILESCl.c1cnc(C2CCNC2)cn1
InChIInChI=1S/C8H11N3.ClH/c1-2-9-5-7(1)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H
InChIKeyPRVWKZRBPCTYBN-UHFFFAOYSA-N
MW185.66 g/mol
LogP0.98
Rot. Bonds1

About 2-pyrrolidin-3-ylpyrazine;hydrochloride

2-pyrrolidin-3-ylpyrazine;hydrochloride (PubChem CID 71744154) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylpyrazine;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-ylpyrazine;hydrochloride
PubChem CID71744154
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-pyrrolidin-3-ylpyrazine;hydrochloride
SMILESCl.c1cnc(C2CCNC2)cn1
InChIInChI=1S/C8H11N3.ClH/c1-2-9-5-7(1)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H
InChIKeyPRVWKZRBPCTYBN-UHFFFAOYSA-N
XLogP0.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrazolidin-4-ylpyrazine
CID 71642391
5-[(3S)-piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124969984
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
5-[(3S)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)pyrazin-2-amine
CID 95825535
4-pyrrolidin-3-yl-2H-triazole
CID 54238328
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
3-pyrrolidin-3-ylpyridine
CID 3613651
2-[5-[(3S)-piperidin-3-yl]-1H-pyrazol-3-yl]pyrazine;dihydrochloride
CID 141288561
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
CID 68759356
5-pyrrolidin-3-ylpyrimidine
CID 66996535
4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
CID 171688132
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylpyrazine;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-ylpyrazine;hydrochloride (CID 71744154) is 2-pyrrolidin-3-ylpyrazine;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-ylpyrazine;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-ylpyrazine;hydrochloride is Cl.c1cnc(C2CCNC2)cn1.
What is the InChIKey of 2-pyrrolidin-3-ylpyrazine;hydrochloride?
The InChIKey is PRVWKZRBPCTYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.ClH/c1-2-9-5-7(1)8-6-10-3-4-11-8;/h3-4,6-7,9H,1-2,5H2;1H.
What are the key properties of 2-pyrrolidin-3-ylpyrazine;hydrochloride?
2-pyrrolidin-3-ylpyrazine;hydrochloride has a molecular weight of 185.66 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylpyrazine;hydrochloride is sourced from PubChem (CID 71744154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).